HRID210276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8900

Heptane

C7H16

HCID28486

Lithium ion

Li+

HCID31246

4-Heptanone

C7H14O

HCID5062348

未命名化合物

HCID21094580

7-Bromo-2-methyl-2H-indazole

C8H7BrN2

PRODUCTS

生成物

HCID21094589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed3ccbf8267b4150b811a65158d0f872
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][n:8]([CH3:11])[n:9][c:10]12.[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[CH3:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:40][CH2:41][CH2:42][C:43]([CH2:44][CH2:45][CH3:46])=[O:47].[CH:12]([N-:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Li+:19].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([C:43]([CH2:42][CH2:41][CH3:40])([CH2:44][CH2:45][CH3:46])[OH:47])[n:8]([CH3:11])[n:9][c:10]12